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Compound Detail

CHEMBL78393

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Cc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

Basic Information

ChEMBL ID CHEMBL78393
Phase Preclinical
Structure Type MOL
InChI Key CMOQWRCLKYBEOS-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.50
ALogP
5
HBA
3
HBD
105.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N6O
MW 350.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.87

Activity Summary

IC50 3 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.39 6.39 410.0 1
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 5.98 5.98 1050.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00445-9 Platelet-derived growth factor receptor 1
- 10.1016/S0960-894X(97)00445-9 Fibroblast growth factor receptor 1 1
- 10.1016/S0960-894X(97)00445-9 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine